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10-undecenyl 2-cyano-3,3-diphenylpropenoate

fo-631a860d855a867d

Identity

Type
Neutral molecule
CAS
947701-81-7
EC
700-604-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 10-undecenyl 2-cyano-3,3-diphenylpropenoate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZMIFHAGGIBCROR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C27H31NO2/c1-2-3-4-5-6-7-8-9-16-21-30-27(29)25(22-28)26(23-17-12-10-13-18-23)24-19-14-11-15-20-24/h2,10-15,17-20H,1,3-9,16,21H2
IUPAC name chemrof:IUPAC_name 10-undecenyl 2-cyano-3,3-diphenylpropenoate
Molecular formula chemrof:molecular_formula C27H31NO2
Molecular mass chemrof:molecular_mass 401.55
Monoisotopic mass chemrof:monoisotopic_mass 401.235479
SMILES string chemrof:smiles_string C=CCCCCCCCCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

Known URLs

5

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=947701-81-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.170.961 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID001036660 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/57614757 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126605436 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
aeb1cc83-b153-4e40-a07b-0184f889363c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2b2e809d-f446-492f-a8b0-6af925c42fb2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
681748bf-2f3f-441e-b63a-ac4cdb2d7fa2 Environmental → Air → Indoor EF 3.1 kg 2
e63620ef-a752-48ca-96a3-633dae94754d Environmental → Air → Long-term EF 3.1 kg 0
e9928b71-8655-4525-b028-153d5da35d17 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fb7a3aa8-296f-4abf-a878-54cac7d44377 Environmental → Air → Unknown EF 3.1 kg 2
120a1e9f-7195-40bc-b5d7-4b4b4ec47657 Environmental → Ground → Agricultural EF 3.1 kg 2
a826750f-42fb-4814-b731-b7a86c67bc77 Environmental → Ground → Non-agricultural EF 3.1 kg 2
f37a340b-c599-48f6-a5b7-245dab62b984 Environmental → Ground → Unknown EF 3.1 kg 2
d7fa71e7-fcd0-4fcf-90f9-0fd699077623 Environmental → Water → Long-term EF 3.1 kg 0
10994ea3-689f-4841-b7af-06654964676b Environmental → Water → Ocean EF 3.1 kg 2
3ea37751-0f5b-420e-b741-359243d25ecc Environmental → Water → Surface water EF 3.1 kg 2
d614d92b-a1b4-4193-978e-6f5f47256206 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-631a860d855a867d",
  "prefLabel": [
    {
      "@value": "10-undecenyl 2-cyano-3,3-diphenylpropenoate",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "10-Undecen-1-yl 2-cyano-3,3-diphenyl-2-propenoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propenoic acid, 2-cyano-3,3-diphenyl-, 10-undecen-1-yl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  "properties": {
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        },
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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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      "@value": [
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      ],
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      "attested_by": {
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      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
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      ],
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        },
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      ],
      "attested_by": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[947701-81-7]"
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  ],
  "created_from": {
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    "seed_uuid": "10994ea3-689f-4841-b7af-06654964676b",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      "provenance": {
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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